5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide

C20H20ClN3O — CID 158216481

IUPAC5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(CCCc2ccccc2)n[nH]c1Cc1cccc(Cl)c1
InChIInChI=1S/C20H20ClN3O/c21-16-10-4-9-15(12-16)13-18-19(20(22)25)17(23-24-18)11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12H,5,8,11,13H2,(H2,22,25)(H,23,24)
InChIKeyNFUWFRIAAAJBMN-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.93
Rot. Bonds7

About 5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide

5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide (PubChem CID 158216481) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide
PubChem CID158216481
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(CCCc2ccccc2)n[nH]c1Cc1cccc(Cl)c1
InChIInChI=1S/C20H20ClN3O/c21-16-10-4-9-15(12-16)13-18-19(20(22)25)17(23-24-18)11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12H,5,8,11,13H2,(H2,22,25)(H,23,24)
InChIKeyNFUWFRIAAAJBMN-UHFFFAOYSA-N
XLogP3.93
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 160822484
5-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 161490750
5-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)naphthalen-1-yl]ethyl]-1H-pyrazole-4-carboxamide
CID 158453411
5-[(3-chlorophenyl)methyl]-3-[2-[3-chloro-5-(trifluoromethyl)-2H-pyrrol-4-yl]ethyl]-1H-pyrazole-4-carboxamide
CID 158137754
5-[(3-chlorophenyl)methyl]-3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 159510070
5-[(3-chlorophenyl)methyl]-3-[[1-(methylidene-oxo-phenyl-λ6-sulfanyl)pyrrol-2-yl]methylideneamino]-1H-pyrazole-4-carboxamide
CID 158158675
5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3-nitrophenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 161419116
3-[2-(4-hydroxyphenyl)ethyl]-5-(1H-indazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 153235048
3-amino-5-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 149128882
5-[(4-acetylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 149337308
4-[3-(3-chlorophenyl)propyl]pyridine
CID 19783328
6-[(2S)-1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]-2-(3-phenylpropyl)pyridine-3-carboxylic acid
CID 129455743

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide (CID 158216481) is 5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide is NC(=O)c1c(CCCc2ccccc2)n[nH]c1Cc1cccc(Cl)c1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is NFUWFRIAAAJBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c21-16-10-4-9-15(12-16)13-18-19(20(22)25)17(23-24-18)11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12H,5,8,11,13H2,(H2,22,25)(H,23,24).
What are the key properties of 5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide?
5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 158216481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).